SCHEMBL19484145

SCHEMBL19484145

COCc1onc(C(=O)NCC(C)C)c1C(C)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
RAB9A P51151 7/20 0.40
NPC1 O15118 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 3/20 0.39
MLYCD O95822 2/20 0.38
HDAC4 P56524 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MMP1 P03956 1/20 0.33
MMP8 P22894 1/20 0.33
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19484142 0.90 MEN1 (0.36) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19484135 0.88 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL17483087 0.85 KMT2A (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19483593 0.85 KMT2A (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19484143 0.83 NPC1 (0.32) KMT2AMEN1RAB9ANPC1
SCHEMBL19484127 0.83 KMT2A (0.48) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19484151 0.82 TRPV1 (0.40) RAB9ANPC1SMN1; SMN2HTTALDH1A1
SCHEMBL19484149 0.82 KMT2A (0.45) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19484148 0.81 KMT2A (0.46) KMT2AMEN1RAB9ANPC1SMN1; SMN2
SCHEMBL19484144 0.79 MEN1 (0.36) KMT2AMEN1RAB9ANPC1SMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-10-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170295789-A1 AMIDE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL OPRM1, TRPA1, L3MBTL3 KMT2A 1451/4885MEN1 4192/4885RAB9A 753/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.